SCHEMBL3812316

SCHEMBL3812316

CN(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)COCCc1cccc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.35
▸ OPRK1 P41145 6/20 0.35
▸ SLC6A4 P31645 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3817509 0.80 OPRM1 (0.35) OPRM1OPRK1SLC6A4
SCHEMBL3816464 0.80 OPRM1 (0.43) OPRM1OPRK1
SCHEMBL3812607 0.76 OPRM1 (0.41) OPRM1OPRK1
SCHEMBL48683 0.75 POLB (0.46) OPRM1OPRK1
SCHEMBL3817882 0.70 OPRM1 (0.45) OPRM1OPRK1
SCHEMBL3815885 0.70 CTNNB1 (0.36) SLC6A4
Oxalic Acid SCHEMBL3811985 0.70 KDM4E (0.49) OPRM1OPRK1
Hydrochloric Acid SCHEMBL3815960 0.69 OPRM1 (0.46) OPRM1OPRK1
SCHEMBL3812920 0.69 KIF11 (0.44) —
SCHEMBL3813019 0.68 ALDH1A1 (0.45) OPRM1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 — — EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 — — US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 — — EP disclosed
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